5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine

C24H16BrF2N — CID 21333352

IUPAC5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine
SMILESFc1cccc(-c2cccc(Cc3ccc(Br)nc3)c2-c2cccc(F)c2)c1
InChIInChI=1S/C24H16BrF2N/c25-23-11-10-16(15-28-23)12-18-6-3-9-22(17-4-1-7-20(26)13-17)24(18)19-5-2-8-21(27)14-19/h1-11,13-15H,12H2
InChIKeyDGUXKYBJFAKIJY-UHFFFAOYSA-N
MW436.30 g/mol
LogP7.05
Rot. Bonds4

About 5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine

5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine (PubChem CID 21333352) has the molecular formula C24H16BrF2N and a molecular weight of 436.30 g/mol. Its IUPAC name is 5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine.

Molecular Properties

Compound Name5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine
PubChem CID21333352
Molecular FormulaC24H16BrF2N
Molecular Weight436.30 g/mol
Exact Mass435.04
IUPAC Name5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine
SMILESFc1cccc(-c2cccc(Cc3ccc(Br)nc3)c2-c2cccc(F)c2)c1
InChIInChI=1S/C24H16BrF2N/c25-23-11-10-16(15-28-23)12-18-6-3-9-22(17-4-1-7-20(26)13-17)24(18)19-5-2-8-21(27)14-19/h1-11,13-15H,12H2
InChIKeyDGUXKYBJFAKIJY-UHFFFAOYSA-N
XLogP7.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.30
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine?
The IUPAC name of 5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine (CID 21333352) is 5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine.
What is the SMILES notation for 5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine?
The canonical SMILES for 5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine is Fc1cccc(-c2cccc(Cc3ccc(Br)nc3)c2-c2cccc(F)c2)c1.
What is the InChIKey of 5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine?
The InChIKey is DGUXKYBJFAKIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrF2N/c25-23-11-10-16(15-28-23)12-18-6-3-9-22(17-4-1-7-20(26)13-17)24(18)19-5-2-8-21(27)14-19/h1-11,13-15H,12H2.
What are the key properties of 5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine?
5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine has a molecular weight of 436.30 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,3-bis(3-fluorophenyl)phenyl]methyl]-2-bromopyridine is sourced from PubChem (CID 21333352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).